1HL3

CtBP/BARS in ternary complex with NAD(H) and PIDLSKK peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Spacegroup name	P 64 2 2
Unit cell lengths	84.811, 84.811, 159.719
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 3.100
R-factor	0.256
Rwork	0.256
R-free	0.31500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1hku
RMSD bond length	0.004
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.125	0.412 *
Number of reflections	6482
<I/σ(I)>	8.9	3.5
Completeness [%]	97.7	98.4
Redundancy	4.4 *	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		2.0 M AMMONIUM FORMATE, 100 MM HEPES, PH 7.5.CRYSTAL SOAKED IN 5MM PEPTIDE (PIDLSKK)

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium formate	1.8-2.1 (M)
2	1	reservoir	HEPES	100 (mM)	pH7.5